SCHEMBL1670563

SCHEMBL1670563

Cc1oc(C(=O)O)c(C)c1-c1c(-c2ccc(O)cc2)c(Br)n(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 10/20 0.39
AR P10275 3/20 0.35
GRIA2 P42262 8/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
PTGER4 P35408 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK13 O15264 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1670503 0.76 AR (0.39) GRIA4ARSENP1KDM4EALDH1A1
SCHEMBL1670817 0.75 MLYCD (0.40) AR
SCHEMBL1670860 0.69 AR (0.46) GRIA4ARGRIA2FNTAFNTB
SCHEMBL12988421 0.68 ALOX5 (0.41) ALDH1A1
SCHEMBL14675674 0.67 XDH (0.37) PTGER4
SCHEMBL1670799 0.67 SENP1 (0.31) GRIA4SENP1
SCHEMBL12801021 0.65 SENP1 (0.34) SENP1
SCHEMBL13195240 0.65 ALOX5 (0.47) KDM4EMAPK14
SCHEMBL1672959 0.61 SENP1 (0.31) SENP1
SCHEMBL1672956 0.61 SENP1 (0.30) SENP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed